logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


IBS-ZINC06759870

 MMsINC code: MMs01970237
Type: Neutral
Formula: C24H27NO3
SMILES:   O1c2c(ccc(OCCN3CCC(CC3)C)c2)C(=O)C(c2ccccc2)=C1C
InChI:   InChI=1/C24H27NO3/c1-17-10-12-25(13-11-17)14-15-27-20-8-9-21-22(16-20)28-18(2)23(24(21)26)19-6-4-3-5-7-19/h3-9,16-17H,10-15H2,1-2H3

Download   format file 
Drug Similarity  |  Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=106.193 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 377.484 g/mol  logS: -5.78308  SlogP: 4.8036  Reactive groups: 1
 
 Topological Properties
  Globularity: 0.0573505  Sterimol/B1: 2.50033  Sterimol/B2: 3.08808  Sterimol/B3: 6.04517
  Sterimol/B4: 6.36896  Sterimol/L: 20.3943 
 
 Surface and Volume Properties
  Accessible surface: 681.449  Positive charged surface: 465.472  Negative charged surface: 215.977  Volume: 380.125
  Hydrophobic surface: 622.847  Hydrophilic surface: 58.602
 
 Pharmacophoric Properties
  Hydrogen bond donors: 0  Hydrogen bond acceptors: 3  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs01970238
IBS-ZINC06759870